scholarly journals The role of QED effects in transition energies of heavy-atom alkaline earth monofluoride molecules: A theoretical study of Ba+, BaF, RaF, and E120F

2021 ◽  
Vol 155 (14) ◽  
pp. 144103
Author(s):  
Leonid V. Skripnikov ◽  
Dmitry V. Chubukov ◽  
Vera M. Shakhova
Keyword(s):  
Alkaline Earth ◽  
Theoretical Study ◽  
Heavy Atom ◽  
Transition Energies ◽  
Qed Effects

A theoretical study of the fundamental absorption band of solid HD

1987 ◽  
Vol 65 (12) ◽  
pp. 1577-1587 ◽  
Author(s):  
S. K. Bose ◽  
J. D. Poll
Keyword(s):  
Theoretical Study ◽  
Direct Absorption ◽  
Interference Effects ◽  
Absorption Profile ◽  
Transition Energies ◽  
Double Excitation ◽  
Vibrational Excitations ◽  
Solid Hd ◽  
Experimental Absorption

A theoretical study of absorption into the fundamental band of solid HD in the neighbourhood of the R1(0) transition is presented. The spectrum, calculated by using a one-phonon approximation, shows qualitative agreement with the experimental absorption curve in the region lying between the Q1(0) and R1(0) transition energies. In particular, we are able to show that the absorption at an energy immediately below that of the R1(0) peak should almost vanish, as observed in the experiment. The role of various dipoles as well as their interference effects is discussed. Such effects are found to be significant near the R1(0) transition peak. The influence of the double-excitation states, in which the rotational and the vibrational excitations reside on two different molecules, is considered. There is no direct absorption into such states, implying the lack of a Q1(0) + R0(0) peak in the spectrum. However, because these states are close in energy to those in which the vibrational and the rotational excitations reside on the same molecule, they somewhat modify the absorption spectrum in the region of the R1(0) peak. Away from this peak, the effect of the double-excitation states on the absorption profile is negligible.

scholarly journals Role of Alkaline-Earth Metal-Catalyst: A Theoretical Study of Pyridines Hydroboration

2019 ◽  
Vol 7 ◽  
Author(s):  
Yuanyuan Li ◽  
Meijun Wu ◽  
Haohua Chen ◽  
Dongdong Xu ◽  
Lingbo Qu ◽  
...  
Keyword(s):  
Alkaline Earth ◽  
Theoretical Study ◽  
Earth Metal ◽  
Metal Catalyst ◽  
Alkaline Earth Metal

Role of Man in Production and Social Systems Based on Digital Technologies

2020 ◽  
pp. 6-13
Author(s):  
V. K. Potemkin
Keyword(s):  
Theoretical Study ◽  
Social Systems ◽  
Digital Technologies ◽  
Changing Role ◽  
Consistent Approach ◽  
Social Improvement

The article presents the results of a theoretical study of the influence processes of the developed digital technologies and the activities of enterprises and organizations on the changing role of man in labor and their social improvement. The necessity of a balanced and consistent approach to create conditions for the use of digital technologies in practical activities and determining the con- sequences not only in enterprises and organizations, but also in the conscious behavior and social realities of all workers, without exception, is substantiated. The main directions of the development of digital technologies are determined, involving the wide participation of workers in their use in enterprises and organizations.

scholarly journals The Role of La2O3 in Enhancement the Radiation Shielding Efficiency of the Tellurite Glasses: Monte-Carlo Simulation and Theoretical Study

Materials ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 3913
Author(s):  
Aljawhara H. Almuqrin ◽  
Mohamed Hanfi ◽  
K. G. Mahmoud ◽  
M. I. Sayyed ◽  
Hanan Al-Ghamdi ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Theoretical Study ◽  
Radiation Shielding ◽  
Photon Flux ◽  
Transmission Factor ◽  
Tellurite Glasses ◽  
Attenuation Coefficients ◽  
Binary Glass ◽  
Buildup Factors

The radiation shielding competence was examined for a binary glass system xLa2O3 + (1 − x) TeO2 where x = 5, 7, 10, 15, and 20 mol% using MCNP-5 code. The linear attenuation coefficients (LACs) of the glasses were evaluated, and it was found that LT20 glass has the greatest LAC, while LT5 had the least LAC. The transmission factor (TF) of the glasses was evaluated against thicknesses at various selected energies and was observed to greatly decrease with increasing thickness; for example, at 1.332 MeV, the TF of the LT5 glass decreased from 0.76 to 0.25 as the thickness increased from 1 to 5 cm. The equivalent atomic number (Zeq) of the glasses gradually increased with increasing photon energy above 0.1 MeV, with the maximum values observed at around 1 MeV. The buildup factors were determined to evaluate the accumulation of photon flux, and it was found that the maximum values for both can be seen at around 0.8 MeV. This research concluded that LT20 has the greatest potential in radiation shielding applications out of the investigated glasses due to the glass having the most desirable parameters.

scholarly journals Temperature-Induced Plasmon Excitations for the α–T3 Lattice in Perpendicular Magnetic Field

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1720
Author(s):  
Antonios Balassis ◽  
Godfrey Gumbs ◽  
Oleksiy Roslyak
Keyword(s):  
Magnetic Field ◽  
Magnetic Fields ◽  
Zeeman Splitting ◽  
Mass Term ◽  
Energy Dispersive Spectrum ◽  
Wave Functions ◽  
Transition Energies ◽  
Gap Opening ◽  
Quantizing Magnetic Field

We have investigated the α–T3 model in the presence of a mass term which opens a gap in the energy dispersive spectrum, as well as under a uniform perpendicular quantizing magnetic field. The gap opening mass term plays the role of Zeeman splitting at low magnetic fields for this pseudospin-1 system, and, as a consequence, we are able to compare physical properties of the the α–T3 model at low and high magnetic fields. Specifically, we explore the magnetoplasmon dispersion relation in these two extreme limits. Central to the calculation of these collective modes is the dielectric function which is determined by the polarizability of the system. This latter function is generated by transition energies between subband states, as well as the overlap of their wave functions.

GLASS STABILITY EFFECT OF IRON OXIDE ADDED TO ALKALINE EARTH BORATE GLASSES

2007 ◽  
Vol 21 (05) ◽  
pp. 731-736
Author(s):  
V. SIMON ◽  
P. RIEDL ◽  
E. TATARU
Keyword(s):  
Iron Oxide ◽  
Short Range ◽  
Alkaline Earth ◽  
Structural Changes ◽  
Opposite Effect ◽  
Glass Stability ◽  
Intermediate Range Order ◽  
Alkaline Earths ◽  
Stability Effect

Glass stability and the structural role of iron oxide in x Fe 2 O 3(100-x)[ B 2 O 3– MO ] systems ( M=Ca , Sr or Ba , 0≤x≤30 mol%) were estimated from differential thermal analysis. The results suggest structural changes characteristic for the transition from short range to intermediate range order as the cationic field strength of the alkaline earths increases. In contrast, the iron addition has an opposite effect and determines a higher glass stability of these systems.

Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study

2015 ◽  
Vol 120 (8) ◽  
pp. 1560-1568 ◽  
Author(s):  
Luís P. Viegas ◽  
António J. C. Varandas
Keyword(s):  
Theoretical Study

Theoretical study on the role of cooperative solvent molecules in the neutral hydrolysis of ketene

2010 ◽  
Vol 127 (5-6) ◽  
pp. 493-506 ◽  
Author(s):  
Xiao-Peng Wu ◽  
Xi-Guang Wei ◽  
Xiao-Ming Sun ◽  
Yi Ren ◽  
Ning-Bew Wong ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Solvent Molecules ◽  
Hydrolysis Of

Structure, stability and intramolecular interaction of M(N5)2(M = Mg, Ca, Sr and Ba) : a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (28) ◽  
pp. 21823-21830 ◽  
Author(s):  
Xueli Zhang ◽  
Junqing Yang ◽  
Ming Lu ◽  
Xuedong Gong
Keyword(s):  
Energetic Materials ◽  
Density Functional ◽  
Alkaline Earth ◽  
Theoretical Study ◽  
Intramolecular Interaction ◽  
Earth Metal ◽  
Structure Stability ◽  
Alkaline Earth Metal ◽  
Functional Theory ◽  
The Density Functional Theory

The potential energetic materials, alkaline earth metal complexes of the pentazole anion (M(N5)2, M = Mg2+, Ca2+, Sr2+and Ba2+), were studied using the density functional theory.

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